N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide

C14H25N5O — CID 66194152

IUPACN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)NCc1cn(C(C)C(=O)NC2CCCC2)nn1
InChIInChI=1S/C14H25N5O/c1-10(2)15-8-13-9-19(18-17-13)11(3)14(20)16-12-6-4-5-7-12/h9-12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyXVFJZWUFMBBRLG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.40
Rot. Bonds6

About N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide

N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide (PubChem CID 66194152) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
PubChem CID66194152
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
SMILESCC(C)NCc1cn(C(C)C(=O)NC2CCCC2)nn1
InChIInChI=1S/C14H25N5O/c1-10(2)15-8-13-9-19(18-17-13)11(3)14(20)16-12-6-4-5-7-12/h9-12,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyXVFJZWUFMBBRLG-UHFFFAOYSA-N
XLogP1.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide (CID 66194152) is N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide is CC(C)NCc1cn(C(C)C(=O)NC2CCCC2)nn1.
What is the InChIKey of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
The InChIKey is XVFJZWUFMBBRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)15-8-13-9-19(18-17-13)11(3)14(20)16-12-6-4-5-7-12/h9-12,15H,4-8H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide?
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide has a molecular weight of 279.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 66194152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).