N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C15H24N6 — CID 103398822

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H24N6/c1-15(2,3)21-10-11(18-19-21)8-16-13-6-5-7-14-12(13)9-17-20(14)4/h9-10,13,16H,5-8H2,1-4H3
InChIKeyZNNCQBJBESIUTB-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.93
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 103398822) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID103398822
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C15H24N6/c1-15(2,3)21-10-11(18-19-21)8-16-13-6-5-7-14-12(13)9-17-20(14)4/h9-10,13,16H,5-8H2,1-4H3
InChIKeyZNNCQBJBESIUTB-UHFFFAOYSA-N
XLogP1.93
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573
1-methyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 47350095
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97104162
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 81343385
1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103906992
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 103398822) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZNNCQBJBESIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-15(2,3)21-10-11(18-19-21)8-16-13-6-5-7-14-12(13)9-17-20(14)4/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 288.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 103398822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).