N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

C16H29N5 — CID 107078749

IUPACN-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1nnc2n1CCCC2
InChIInChI=1S/C16H29N5/c1-2-9-17-12-14-7-3-5-10-20(14)13-16-19-18-15-8-4-6-11-21(15)16/h14,17H,2-13H2,1H3
InChIKeyKNPXOEXZWHMDCS-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.97
Rot. Bonds6

About N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 107078749) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID107078749
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1nnc2n1CCCC2
InChIInChI=1S/C16H29N5/c1-2-9-17-12-14-7-3-5-10-20(14)13-16-19-18-15-8-4-6-11-21(15)16/h14,17H,2-13H2,1H3
InChIKeyKNPXOEXZWHMDCS-UHFFFAOYSA-N
XLogP1.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 107077080
3-[[(2R)-2-(2-methylpropyl)azepan-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 100620701
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848343
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107043572
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-ethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 81055898
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-1-amine
CID 107077543

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (CID 107078749) is N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1Cc1nnc2n1CCCC2.
What is the InChIKey of N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is KNPXOEXZWHMDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-2-9-17-12-14-7-3-5-10-20(14)13-16-19-18-15-8-4-6-11-21(15)16/h14,17H,2-13H2,1H3.
What are the key properties of N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107078749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).