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

C11H12N8 — CID 106282877

IUPAC1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C11H12N8/c1-8(10-12-7-13-15-10)14-11-16-17-18-19(11)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,15)(H,14,16,18)
InChIKeyDKYVSGXVYDSYQB-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.95
Rot. Bonds4

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

1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine (PubChem CID 106282877) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
PubChem CID106282877
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1ncn[nH]1
InChIInChI=1S/C11H12N8/c1-8(10-12-7-13-15-10)14-11-16-17-18-19(11)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,15)(H,14,16,18)
InChIKeyDKYVSGXVYDSYQB-UHFFFAOYSA-N
XLogP0.95
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
CID 61462761
1-phenyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]tetrazol-5-amine
CID 133307272
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine (CID 106282877) is 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine is CC(Nc1nnnn1-c1ccccc1)c1ncn[nH]1.
What is the InChIKey of 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine?
The InChIKey is DKYVSGXVYDSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-8(10-12-7-13-15-10)14-11-16-17-18-19(11)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,15)(H,14,16,18).
What are the key properties of 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine?
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine has a molecular weight of 256.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 106282877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).