N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C16H26N6 — CID 95610747

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCc1nnc2n1C[C@H](CNCc1cnn(C(C)(C)C)c1)CC2
InChIInChI=1S/C16H26N6/c1-12-19-20-15-6-5-13(10-21(12)15)7-17-8-14-9-18-22(11-14)16(2,3)4/h9,11,13,17H,5-8,10H2,1-4H3/t13-/m0/s1
InChIKeyMWFRPTVGLUXOQL-ZDUSSCGKSA-N
MW302.43 g/mol
LogP1.89
Rot. Bonds4

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 95610747) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID95610747
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCc1nnc2n1C[C@H](CNCc1cnn(C(C)(C)C)c1)CC2
InChIInChI=1S/C16H26N6/c1-12-19-20-15-6-5-13(10-21(12)15)7-17-8-14-9-18-22(11-14)16(2,3)4/h9,11,13,17H,5-8,10H2,1-4H3/t13-/m0/s1
InChIKeyMWFRPTVGLUXOQL-ZDUSSCGKSA-N
XLogP1.89
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95732943
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
N-(1-benzothiophen-3-ylmethyl)-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95607549
N-(1,3-benzodioxol-4-ylmethyl)-1-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95979112
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43791520
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119158686
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 56780979

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 95610747) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is Cc1nnc2n1C[C@H](CNCc1cnn(C(C)(C)C)c1)CC2.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is MWFRPTVGLUXOQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N6/c1-12-19-20-15-6-5-13(10-21(12)15)7-17-8-14-9-18-22(11-14)16(2,3)4/h9,11,13,17H,5-8,10H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 302.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 95610747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).