(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H22N4 — CID 9114126

IUPAC(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1ccn2c(CN[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)nnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-21-16(6-1)19-20-17(21)10-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15,18H,3-5,8-10H2/t11-,12+,13+,14+,15-/m1/s1
InChIKeyKWAGUFLUAQNVKT-CAEXGNQWSA-N
MW282.39 g/mol
LogP2.64
Rot. Bonds3

About (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine

(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 9114126) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID9114126
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1ccn2c(CN[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)nnc2c1
InChIInChI=1S/C17H22N4/c1-2-7-21-16(6-1)19-20-17(21)10-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15,18H,3-5,8-10H2/t11-,12+,13+,14+,15-/m1/s1
InChIKeyKWAGUFLUAQNVKT-CAEXGNQWSA-N
XLogP2.64
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine with MolForge

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 60664431
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
(1S,5R,6R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 97347379
7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862717
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
N-[(1-methyltriazol-4-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62756684
N-[(1-ethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 66413966
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
1-(1-methylpiperidin-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62653976
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
1-cyclobutyl-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 119146293

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 9114126) is (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is c1ccn2c(CN[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]43)nnc2c1.
What is the InChIKey of (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is KWAGUFLUAQNVKT-CAEXGNQWSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-7-21-16(6-1)19-20-17(21)10-18-15-9-11-8-14(15)13-5-3-4-12(11)13/h1-2,6-7,11-15,18H,3-5,8-10H2/t11-,12+,13+,14+,15-/m1/s1.
What are the key properties of (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine?
(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 282.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 9114126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).