1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C14H19N7 — CID 103398634

IUPAC1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC(C)(C)n1cc(CNCc2nnc3ccccn23)nn1
InChIInChI=1S/C14H19N7/c1-14(2,3)21-10-11(16-19-21)8-15-9-13-18-17-12-6-4-5-7-20(12)13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBHBGIMJLWYKJLP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.37
Rot. Bonds4

About 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 103398634) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID103398634
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC(C)(C)n1cc(CNCc2nnc3ccccn23)nn1
InChIInChI=1S/C14H19N7/c1-14(2,3)21-10-11(16-19-21)8-15-9-13-18-17-12-6-4-5-7-20(12)13/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBHBGIMJLWYKJLP-UHFFFAOYSA-N
XLogP1.37
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine with MolForge

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
2,2-dimethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-ol
CID 81414347
1-pyridin-4-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711073
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
3-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 28711709
1-(3-methylthiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711077
2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269970
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62472572
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 103398634) is 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is CC(C)(C)n1cc(CNCc2nnc3ccccn23)nn1.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is BHBGIMJLWYKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-14(2,3)21-10-11(16-19-21)8-15-9-13-18-17-12-6-4-5-7-20(12)13/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 103398634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).