1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine

C16H27N5 — CID 75453966

IUPAC1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
SMILESCn1c(CN2CCN(CC3CC3)CC2)nnc1C1CCC1
InChIInChI=1S/C16H27N5/c1-19-15(17-18-16(19)14-3-2-4-14)12-21-9-7-20(8-10-21)11-13-5-6-13/h13-14H,2-12H2,1H3
InChIKeyCMWQWLOQQUHCBP-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.61
Rot. Bonds5

About 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine

1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine (PubChem CID 75453966) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine.

Molecular Properties

Compound Name1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
PubChem CID75453966
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
SMILESCn1c(CN2CCN(CC3CC3)CC2)nnc1C1CCC1
InChIInChI=1S/C16H27N5/c1-19-15(17-18-16(19)14-3-2-4-14)12-21-9-7-20(8-10-21)11-13-5-6-13/h13-14H,2-12H2,1H3
InChIKeyCMWQWLOQQUHCBP-UHFFFAOYSA-N
XLogP1.61
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
(2-{4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-1,1-dimethylethyl)amine dihydrochloride
CID 70782280
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928247
1-({5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylpiperazine
CID 72876363
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480562
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206
1-[2-(1-butyl-3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylpiperazine
CID 72860700
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The IUPAC name of 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine (CID 75453966) is 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine.
What is the SMILES notation for 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The canonical SMILES for 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine is Cn1c(CN2CCN(CC3CC3)CC2)nnc1C1CCC1.
What is the InChIKey of 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine?
The InChIKey is CMWQWLOQQUHCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-19-15(17-18-16(19)14-3-2-4-14)12-21-9-7-20(8-10-21)11-13-5-6-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine?
1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine has a molecular weight of 289.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine is sourced from PubChem (CID 75453966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).