N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide

C10H18N6O — CID 80681957

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide
SMILESCn1cnc(CCNC(=O)C2CNCCN2)n1
InChIInChI=1S/C10H18N6O/c1-16-7-14-9(15-16)2-3-13-10(17)8-6-11-4-5-12-8/h7-8,11-12H,2-6H2,1H3,(H,13,17)
InChIKeyACYMVPGTMBNHNO-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.96
Rot. Bonds4

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (PubChem CID 80681957) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide
PubChem CID80681957
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide
SMILESCn1cnc(CCNC(=O)C2CNCCN2)n1
InChIInChI=1S/C10H18N6O/c1-16-7-14-9(15-16)2-3-13-10(17)8-6-11-4-5-12-8/h7-8,11-12H,2-6H2,1H3,(H,13,17)
InChIKeyACYMVPGTMBNHNO-UHFFFAOYSA-N
XLogP-1.96
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 80682609
2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80683153
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 80682620
(2R)-N-[2-(4-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide;(2R)-N-[2-(5-methylimidazol-1-yl)ethyl]piperazine-2-carboxamide
CID 159285681
(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide (CID 80681957) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide is Cn1cnc(CCNC(=O)C2CNCCN2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is ACYMVPGTMBNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-16-7-14-9(15-16)2-3-13-10(17)8-6-11-4-5-12-8/h7-8,11-12H,2-6H2,1H3,(H,13,17).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 80681957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).