1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine

C14H21N7 — CID 107078674

IUPAC1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine
SMILESc1c(CNCC2CC2)nnn1Cc1nnc2n1CCCC2
InChIInChI=1S/C14H21N7/c1-2-6-21-13(3-1)17-18-14(21)10-20-9-12(16-19-20)8-15-7-11-4-5-11/h9,11,15H,1-8,10H2
InChIKeyVTTSDYMOELBPQN-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.75
Rot. Bonds6

About 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine

1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine (PubChem CID 107078674) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine
PubChem CID107078674
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine
SMILESc1c(CNCC2CC2)nnn1Cc1nnc2n1CCCC2
InChIInChI=1S/C14H21N7/c1-2-6-21-13(3-1)17-18-14(21)10-20-9-12(16-19-20)8-15-7-11-4-5-11/h9,11,15H,1-8,10H2
InChIKeyVTTSDYMOELBPQN-UHFFFAOYSA-N
XLogP0.75
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]butan-1-amine
CID 107078809
1-(1-methylpiperidin-3-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077372
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 107078682
[2-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]cyclohexyl]methanol
CID 107077626
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
1-(cyclopropylmethyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111869152
1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077080
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119109261
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
CID 166219106
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 107077895
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine (CID 107078674) is 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine is c1c(CNCC2CC2)nnn1Cc1nnc2n1CCCC2.
What is the InChIKey of 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine?
The InChIKey is VTTSDYMOELBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-2-6-21-13(3-1)17-18-14(21)10-20-9-12(16-19-20)8-15-7-11-4-5-11/h9,11,15H,1-8,10H2.
What are the key properties of 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine?
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine has a molecular weight of 287.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 107078674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).