N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine

C18H18N8 — CID 9030453

IUPACN-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine
SMILESC[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N8/c1-14(15-8-10-16(11-9-15)25-13-19-12-20-25)24(2)18-21-22-23-26(18)17-6-4-3-5-7-17/h3-14H,1-2H3/t14-/m0/s1
InChIKeyZUCLYTZPVHVTCB-AWEZNQCLSA-N
MW346.40 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine

N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine (PubChem CID 9030453) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine
PubChem CID9030453
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine
SMILESC[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H18N8/c1-14(15-8-10-16(11-9-15)25-13-19-12-20-25)24(2)18-21-22-23-26(18)17-6-4-3-5-7-17/h3-14H,1-2H3/t14-/m0/s1
InChIKeyZUCLYTZPVHVTCB-AWEZNQCLSA-N
XLogP2.44
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-phenyltetrazole-5-thione
CID 9284918
N,5,6-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazin-3-amine
CID 133488618
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
N-[(1-phenyltetrazol-5-yl)methyl]-1-[3-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 84598718
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-en-1-amine
CID 86907029
N-methyl-4-oxo-4-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 9471078
3-(2-fluorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133426237
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
3-[[dimethyl(phenyl)silyl]methyl]-1-methyl-1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 124852726
2-(2-methoxyphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9470980

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine?
The IUPAC name of N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine (CID 9030453) is N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine?
The canonical SMILES for N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine is C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine?
The InChIKey is ZUCLYTZPVHVTCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N8/c1-14(15-8-10-16(11-9-15)25-13-19-12-20-25)24(2)18-21-22-23-26(18)17-6-4-3-5-7-17/h3-14H,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine?
N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine has a molecular weight of 346.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine is sourced from PubChem (CID 9030453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).