N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C14H23N7 — CID 56717875

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H23N7/c1-12(8-20-10-15-9-18-20)16-7-14-19-17-11-21(14)13-5-3-2-4-6-13/h9-13,16H,2-8H2,1H3
InChIKeyNVKYCAWNSFJMQI-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.55
Rot. Bonds6

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 56717875) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID56717875
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H23N7/c1-12(8-20-10-15-9-18-20)16-7-14-19-17-11-21(14)13-5-3-2-4-6-13/h9-13,16H,2-8H2,1H3
InChIKeyNVKYCAWNSFJMQI-UHFFFAOYSA-N
XLogP1.55
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 56717875) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is NVKYCAWNSFJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-12(8-20-10-15-9-18-20)16-7-14-19-17-11-21(14)13-5-3-2-4-6-13/h9-13,16H,2-8H2,1H3.
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 289.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 56717875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).