1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide

C10H17N5O — CID 79650892

IUPAC1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(n2cncn2)C1
InChIInChI=1S/C10H17N5O/c1-2-13-10(9(11)16)4-3-8(5-10)15-7-12-6-14-15/h6-8,13H,2-5H2,1H3,(H2,11,16)
InChIKeySZADUMRTHDBHHV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.16
Rot. Bonds4

About 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide

1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide (PubChem CID 79650892) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
PubChem CID79650892
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(n2cncn2)C1
InChIInChI=1S/C10H17N5O/c1-2-13-10(9(11)16)4-3-8(5-10)15-7-12-6-14-15/h6-8,13H,2-5H2,1H3,(H2,11,16)
InChIKeySZADUMRTHDBHHV-UHFFFAOYSA-N
XLogP-0.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide (CID 79650892) is 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(n2cncn2)C1.
What is the InChIKey of 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide?
The InChIKey is SZADUMRTHDBHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-13-10(9(11)16)4-3-8(5-10)15-7-12-6-14-15/h6-8,13H,2-5H2,1H3,(H2,11,16).
What are the key properties of 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide?
1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79650892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).