1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide

C17H23N5O — CID 46984312

IUPAC1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NC(C)c3ncn[nH]3)CCCC2)cc1
InChIInChI=1S/C17H23N5O/c1-12-5-7-14(8-6-12)21-17(9-3-4-10-17)16(23)20-13(2)15-18-11-19-22-15/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H,20,23)(H,18,19,22)
InChIKeyWTLOXTUNLSTLGA-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide

1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 46984312) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID46984312
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NC(C)c3ncn[nH]3)CCCC2)cc1
InChIInChI=1S/C17H23N5O/c1-12-5-7-14(8-6-12)21-17(9-3-4-10-17)16(23)20-13(2)15-18-11-19-22-15/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H,20,23)(H,18,19,22)
InChIKeyWTLOXTUNLSTLGA-UHFFFAOYSA-N
XLogP2.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide (CID 46984312) is 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide is Cc1ccc(NC2(C(=O)NC(C)c3ncn[nH]3)CCCC2)cc1.
What is the InChIKey of 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is WTLOXTUNLSTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-5-7-14(8-6-12)21-17(9-3-4-10-17)16(23)20-13(2)15-18-11-19-22-15/h5-8,11,13,21H,3-4,9-10H2,1-2H3,(H,20,23)(H,18,19,22).
What are the key properties of 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylanilino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 46984312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).