N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide

C10H19N5O — CID 103824860

IUPACN-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-3-6-15(4-2)7-5-11-10(16)9-12-8-13-14-9/h8H,3-7H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyOTHRZWLMKQBRAX-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.27
Rot. Bonds7

About N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103824860) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103824860
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCN(CC)CCNC(=O)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-3-6-15(4-2)7-5-11-10(16)9-12-8-13-14-9/h8H,3-7H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyOTHRZWLMKQBRAX-UHFFFAOYSA-N
XLogP0.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822632
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824779
N-(4-methylsulfanylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749145
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
6-amino-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 114134937
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 103824860) is N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is CCCN(CC)CCNC(=O)c1ncn[nH]1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OTHRZWLMKQBRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-6-15(4-2)7-5-11-10(16)9-12-8-13-14-9/h8H,3-7H2,1-2H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103824860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).