N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C13H21N9O — CID 70719235

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESNc1n[nH]c(CNC(=O)c2cn(CCC3CCCCN3)nn2)n1
InChIInChI=1S/C13H21N9O/c14-13-17-11(19-20-13)7-16-12(23)10-8-22(21-18-10)6-4-9-3-1-2-5-15-9/h8-9,15H,1-7H2,(H,16,23)(H3,14,17,19,20)
InChIKeyUMGRBIYEZKHGRV-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.56
Rot. Bonds6

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70719235) has the molecular formula C13H21N9O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70719235
Molecular FormulaC13H21N9O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESNc1n[nH]c(CNC(=O)c2cn(CCC3CCCCN3)nn2)n1
InChIInChI=1S/C13H21N9O/c14-13-17-11(19-20-13)7-16-12(23)10-8-22(21-18-10)6-4-9-3-1-2-5-15-9/h8-9,15H,1-7H2,(H,16,23)(H3,14,17,19,20)
InChIKeyUMGRBIYEZKHGRV-UHFFFAOYSA-N
XLogP-0.56
TPSA139.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide with MolForge

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Related Compounds

1-(2-cyclohexylethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56904759
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
(3S,4S)-N-methyl-1-[(5-methyl-2-pyrazinyl)carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
CID 91911181
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706289
1-(cis-4-aminocyclohexyl)-N-[1-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70709218
N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70724937
1-(cis-4-aminocyclohexyl)-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70738966
N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70752750
N-[2-(1H-imidazol-4-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 77095230
N-(2-((5-isobutyl-1H-1,2,4-triazol-3-yl)amino)-2-oxoethyl)pyrazine-2-carboxamide
CID 71709422

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70719235) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is Nc1n[nH]c(CNC(=O)c2cn(CCC3CCCCN3)nn2)n1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is UMGRBIYEZKHGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N9O/c14-13-17-11(19-20-13)7-16-12(23)10-8-22(21-18-10)6-4-9-3-1-2-5-15-9/h8-9,15H,1-7H2,(H,16,23)(H3,14,17,19,20).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70719235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).