N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

C13H19N5 — CID 103398556

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC(C)(C)n1cc(CNCc2ccccn2)nn1
InChIInChI=1S/C13H19N5/c1-13(2,3)18-10-12(16-17-18)9-14-8-11-6-4-5-7-15-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFDRYVVBSWFHAHQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.72
Rot. Bonds4

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 103398556) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID103398556
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC(C)(C)n1cc(CNCc2ccccn2)nn1
InChIInChI=1S/C13H19N5/c1-13(2,3)18-10-12(16-17-18)9-14-8-11-6-4-5-7-15-11/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFDRYVVBSWFHAHQ-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-tert-butyltriazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 103399323
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
1-(1-tert-butyltriazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103398634
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
1-(5-bromothiophen-2-yl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398951
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 103398947
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine (CID 103398556) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is CC(C)(C)n1cc(CNCc2ccccn2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is FDRYVVBSWFHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)18-10-12(16-17-18)9-14-8-11-6-4-5-7-15-11/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 103398556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).