N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide

C12H23N5O — CID 78968205

IUPACN-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-10(3)14-12(18)11-9-13-16-15-11/h9-10H,4-8H2,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyKIHRFARXBFOGAV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.04
Rot. Bonds8

About N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide (PubChem CID 78968205) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide
PubChem CID78968205
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-10(3)14-12(18)11-9-13-16-15-11/h9-10H,4-8H2,1-3H3,(H,14,18)(H,13,15,16)
InChIKeyKIHRFARXBFOGAV-UHFFFAOYSA-N
XLogP1.04
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide (CID 78968205) is N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is KIHRFARXBFOGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-17(5-2)8-6-7-10(3)14-12(18)11-9-13-16-15-11/h9-10H,4-8H2,1-3H3,(H,14,18)(H,13,15,16).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).