4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine

C10H14N6 — CID 12919379

IUPAC4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
SMILESCC(C)n1nnnc1-c1ccc(N)c(N)c1
InChIInChI=1S/C10H14N6/c1-6(2)16-10(13-14-15-16)7-3-4-8(11)9(12)5-7/h3-6H,11-12H2,1-2H3
InChIKeyVMRWKOMAAPACAR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds2

About 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine

4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine (PubChem CID 12919379) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
PubChem CID12919379
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
SMILESCC(C)n1nnnc1-c1ccc(N)c(N)c1
InChIInChI=1S/C10H14N6/c1-6(2)16-10(13-14-15-16)7-3-4-8(11)9(12)5-7/h3-6H,11-12H2,1-2H3
InChIKeyVMRWKOMAAPACAR-UHFFFAOYSA-N
XLogP1.09
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352852
2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352261
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458
2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61351832
2-chloro-4-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 82787385
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
2-bromo-5-[1-(3,3-dimethylbutan-2-yl)tetrazol-5-yl]aniline
CID 104829750
2-chloro-4-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 82786109
2-methyl-4-[1-(1-phenylethyl)tetrazol-5-yl]aniline
CID 61354476
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
CID 62198986
2-chloro-5-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]aniline
CID 64642685

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine (CID 12919379) is 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine is CC(C)n1nnnc1-c1ccc(N)c(N)c1.
What is the InChIKey of 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine?
The InChIKey is VMRWKOMAAPACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-6(2)16-10(13-14-15-16)7-3-4-8(11)9(12)5-7/h3-6H,11-12H2,1-2H3.
What are the key properties of 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine?
4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 12919379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).