1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

C19H29N5 — CID 154929877

IUPAC1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)n(C)n2)CC1
InChIInChI=1S/C19H29N5/c1-19(2,3)16-8-6-15(7-9-16)18-20-17(21-23(18)5)14-24-12-10-22(4)11-13-24/h6-9H,10-14H2,1-5H3
InChIKeyRBKWFKZVKBPRMY-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.53
Rot. Bonds3

About 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (PubChem CID 154929877) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
PubChem CID154929877
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)n(C)n2)CC1
InChIInChI=1S/C19H29N5/c1-19(2,3)16-8-6-15(7-9-16)18-20-17(21-23(18)5)14-24-12-10-22(4)11-13-24/h6-9H,10-14H2,1-5H3
InChIKeyRBKWFKZVKBPRMY-UHFFFAOYSA-N
XLogP2.53
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929697
1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 166028004
1-methyl-5-(4-propan-2-ylphenyl)-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929730
1-methyl-3-(pyrrolidin-1-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 154929674
5-[3-[3-(4-tert-butylphenyl)-5-(4-methylphenyl)phenyl]phenyl]-1-methyl-3-propyl-1,2,4-triazole
CID 145332585
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
2-(4-tert-butylphenyl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 146052198
N-ethyl-6-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79243422
1-[(5-tert-butyl-3-fluoro-2-pyridinyl)methyl]-4-methylpiperazine
CID 154623745
4-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)aniline
CID 62721082
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (CID 154929877) is 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2nc(-c3ccc(C(C)(C)C)cc3)n(C)n2)CC1.
What is the InChIKey of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is RBKWFKZVKBPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-19(2,3)16-8-6-15(7-9-16)18-20-17(21-23(18)5)14-24-12-10-22(4)11-13-24/h6-9H,10-14H2,1-5H3.
What are the key properties of 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 327.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 154929877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).