3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole

C15H23N5 — CID 97438130

IUPAC3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole
SMILESCCCn1nc(C2CC2)nc1C[C@H](C)n1ccnc1C
InChIInChI=1S/C15H23N5/c1-4-8-20-14(17-15(18-20)13-5-6-13)10-11(2)19-9-7-16-12(19)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t11-/m0/s1
InChIKeyGJGSKUKSIJNYMD-NSHDSACASA-N
MW273.38 g/mol
LogP2.87
Rot. Bonds6

About 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole

3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole (PubChem CID 97438130) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole
PubChem CID97438130
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole
SMILESCCCn1nc(C2CC2)nc1C[C@H](C)n1ccnc1C
InChIInChI=1S/C15H23N5/c1-4-8-20-14(17-15(18-20)13-5-6-13)10-11(2)19-9-7-16-12(19)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t11-/m0/s1
InChIKeyGJGSKUKSIJNYMD-NSHDSACASA-N
XLogP2.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole (CID 97438130) is 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole is CCCn1nc(C2CC2)nc1C[C@H](C)n1ccnc1C.
What is the InChIKey of 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole?
The InChIKey is GJGSKUKSIJNYMD-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5/c1-4-8-20-14(17-15(18-20)13-5-6-13)10-11(2)19-9-7-16-12(19)3/h7,9,11,13H,4-6,8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole?
3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole has a molecular weight of 273.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2S)-2-(2-methylimidazol-1-yl)propyl]-1-propyl-1,2,4-triazole is sourced from PubChem (CID 97438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).