(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide

C15H27N5O — CID 124756487

IUPAC(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
SMILESCCCn1cnnc1CN(C)[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C15H27N5O/c1-4-9-20-11-16-18-14(20)10-19(3)12(2)15(21)17-13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeySTMBJOFWJLNWCK-LBPRGKRZSA-N
MW293.41 g/mol
LogP1.57
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide

(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide (PubChem CID 124756487) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
PubChem CID124756487
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
SMILESCCCn1cnnc1CN(C)[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C15H27N5O/c1-4-9-20-11-16-18-14(20)10-19(3)12(2)15(21)17-13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeySTMBJOFWJLNWCK-LBPRGKRZSA-N
XLogP1.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide (CID 124756487) is (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide is CCCn1cnnc1CN(C)[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide?
The InChIKey is STMBJOFWJLNWCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-9-20-11-16-18-14(20)10-19(3)12(2)15(21)17-13-7-5-6-8-13/h11-13H,4-10H2,1-3H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide?
(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 124756487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).