1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine

C8H13N7 — CID 107042771

IUPAC1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1nnn(C)n1
InChIInChI=1S/C8H13N7/c1-6-7(5-14(2)11-6)9-4-8-10-13-15(3)12-8/h5,9H,4H2,1-3H3
InChIKeyWLRAJBSBPYJWQW-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.14
Rot. Bonds3

About 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 107042771) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
PubChem CID107042771
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1nnn(C)n1
InChIInChI=1S/C8H13N7/c1-6-7(5-14(2)11-6)9-4-8-10-13-15(3)12-8/h5,9H,4H2,1-3H3
InChIKeyWLRAJBSBPYJWQW-UHFFFAOYSA-N
XLogP-0.14
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
1,3-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrazol-4-amine
CID 104954455
2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042005
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130870036
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126967451

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine (CID 107042771) is 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine is Cc1nn(C)cc1NCc1nnn(C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is WLRAJBSBPYJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-6-7(5-14(2)11-6)9-4-8-10-13-15(3)12-8/h5,9H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 207.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 107042771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).