(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide

C13H22N4O — CID 130315544

IUPAC(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCC1(C)C(CCCn2cncn2)CC[C@@H]1C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2)10(5-6-11(13)12(14)18)4-3-7-17-9-15-8-16-17/h8-11H,3-7H2,1-2H3,(H2,14,18)/t10?,11-/m1/s1
InChIKeyPWPKWIKLFGKVMV-RRKGBCIJSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds5

About (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide

(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide (PubChem CID 130315544) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide
PubChem CID130315544
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide
SMILESCC1(C)C(CCCn2cncn2)CC[C@@H]1C(N)=O
InChIInChI=1S/C13H22N4O/c1-13(2)10(5-6-11(13)12(14)18)4-3-7-17-9-15-8-16-17/h8-11H,3-7H2,1-2H3,(H2,14,18)/t10?,11-/m1/s1
InChIKeyPWPKWIKLFGKVMV-RRKGBCIJSA-N
XLogP1.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide (CID 130315544) is (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide is CC1(C)C(CCCn2cncn2)CC[C@@H]1C(N)=O.
What is the InChIKey of (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide?
The InChIKey is PWPKWIKLFGKVMV-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2)10(5-6-11(13)12(14)18)4-3-7-17-9-15-8-16-17/h8-11H,3-7H2,1-2H3,(H2,14,18)/t10?,11-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide?
(1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-3-[3-(1,2,4-triazol-1-yl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 130315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).