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

C10H17N5O — CID 103822632

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CCNC(=O)c1ncn[nH]1)C1CC1
InChIInChI=1S/C10H17N5O/c1-2-15(8-3-4-8)6-5-11-10(16)9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyARNDNLSOIJULBN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds6

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

N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103822632) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103822632
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCN(CCNC(=O)c1ncn[nH]1)C1CC1
InChIInChI=1S/C10H17N5O/c1-2-15(8-3-4-8)6-5-11-10(16)9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyARNDNLSOIJULBN-UHFFFAOYSA-N
XLogP0.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103824860
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyrazine-2-carboxamide
CID 114134895
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyridine-2-carboxamide
CID 113304896
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111708135
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
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 103822632) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is CCN(CCNC(=O)c1ncn[nH]1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ARNDNLSOIJULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-15(8-3-4-8)6-5-11-10(16)9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103822632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).