1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine

C16H29N5 — CID 72860700

IUPAC1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine
SMILESCCCCn1nc(C2CC2)nc1CCN1CCN(C)CC1
InChIInChI=1S/C16H29N5/c1-3-4-8-21-15(17-16(18-21)14-5-6-14)7-9-20-12-10-19(2)11-13-20/h14H,3-13H2,1-2H3
InChIKeyGYHHXGQGOARLJT-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.75
Rot. Bonds7

About 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine

1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine (PubChem CID 72860700) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine
PubChem CID72860700
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine
SMILESCCCCn1nc(C2CC2)nc1CCN1CCN(C)CC1
InChIInChI=1S/C16H29N5/c1-3-4-8-21-15(17-16(18-21)14-5-6-14)7-9-20-12-10-19(2)11-13-20/h14H,3-13H2,1-2H3
InChIKeyGYHHXGQGOARLJT-UHFFFAOYSA-N
XLogP1.75
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine (CID 72860700) is 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine is CCCCn1nc(C2CC2)nc1CCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine?
The InChIKey is GYHHXGQGOARLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-4-8-21-15(17-16(18-21)14-5-6-14)7-9-20-12-10-19(2)11-13-20/h14H,3-13H2,1-2H3.
What are the key properties of 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine?
1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine has a molecular weight of 291.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butyl-5-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 72860700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).