N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide

C10H18N4O — CID 94615339

IUPACN-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)[C@H](C)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-8(2)9(3)13-10(15)4-5-14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyRPJBGYVQLIJJBV-VIFPVBQESA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94615339) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID94615339
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)[C@H](C)NC(=O)CCn1cncn1
InChIInChI=1S/C10H18N4O/c1-8(2)9(3)13-10(15)4-5-14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyRPJBGYVQLIJJBV-VIFPVBQESA-N
XLogP0.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 94615339) is N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is CC(C)[C@H](C)NC(=O)CCn1cncn1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RPJBGYVQLIJJBV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)9(3)13-10(15)4-5-14-7-11-6-12-14/h6-9H,4-5H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94615339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).