1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine

C8H10N6 — CID 114957830

IUPAC1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine
SMILESCc1ccncc1Cn1nnnc1N
InChIInChI=1S/C8H10N6/c1-6-2-3-10-4-7(6)5-14-8(9)11-12-13-14/h2-4H,5H2,1H3,(H2,9,11,13)
InChIKeyVSQLMWPKBQROSC-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.01
Rot. Bonds2

About 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine

1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine (PubChem CID 114957830) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine
PubChem CID114957830
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine
SMILESCc1ccncc1Cn1nnnc1N
InChIInChI=1S/C8H10N6/c1-6-2-3-10-4-7(6)5-14-8(9)11-12-13-14/h2-4H,5H2,1H3,(H2,9,11,13)
InChIKeyVSQLMWPKBQROSC-UHFFFAOYSA-N
XLogP0.01
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine (CID 114957830) is 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine is Cc1ccncc1Cn1nnnc1N.
What is the InChIKey of 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine?
The InChIKey is VSQLMWPKBQROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-6-2-3-10-4-7(6)5-14-8(9)11-12-13-14/h2-4H,5H2,1H3,(H2,9,11,13).
What are the key properties of 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine?
1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine has a molecular weight of 190.21 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-3-pyridinyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 114957830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).