1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

C12H21N5 — CID 102798474

IUPAC1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESCC1CN(c2n[nH]c(C(C)C3CC3)n2)CCN1
InChIInChI=1S/C12H21N5/c1-8-7-17(6-5-13-8)12-14-11(15-16-12)9(2)10-3-4-10/h8-10,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDOBRDLFXBFAGDR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds3

About 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine

1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (PubChem CID 102798474) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
PubChem CID102798474
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
SMILESCC1CN(c2n[nH]c(C(C)C3CC3)n2)CCN1
InChIInChI=1S/C12H21N5/c1-8-7-17(6-5-13-8)12-14-11(15-16-12)9(2)10-3-4-10/h8-10,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyDOBRDLFXBFAGDR-UHFFFAOYSA-N
XLogP1.12
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797756
1-[5-[methoxy(phenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798189
(3R)-1-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797674
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
CID 102798259
(3R)-3-methyl-1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797516
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylpiperazine
CID 102797426
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 103207019
1-[5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176924
(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176930
1-[5-(2-cyclohexylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798194

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The IUPAC name of 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine (CID 102798474) is 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine.
What is the SMILES notation for 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The canonical SMILES for 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is CC1CN(c2n[nH]c(C(C)C3CC3)n2)CCN1.
What is the InChIKey of 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
The InChIKey is DOBRDLFXBFAGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-7-17(6-5-13-8)12-14-11(15-16-12)9(2)10-3-4-10/h8-10,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine?
1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine has a molecular weight of 235.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine is sourced from PubChem (CID 102798474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).