3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine

C10H14N6 — CID 63555277

IUPAC3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nnnn2CCCN)n1
InChIInChI=1S/C10H14N6/c1-8-4-2-5-9(12-8)10-13-14-15-16(10)7-3-6-11/h2,4-5H,3,6-7,11H2,1H3
InChIKeyRKIBZEDYHLXDQC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.39
Rot. Bonds4

About 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine

3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine (PubChem CID 63555277) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
PubChem CID63555277
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nnnn2CCCN)n1
InChIInChI=1S/C10H14N6/c1-8-4-2-5-9(12-8)10-13-14-15-16(10)7-3-6-11/h2,4-5H,3,6-7,11H2,1H3
InChIKeyRKIBZEDYHLXDQC-UHFFFAOYSA-N
XLogP0.39
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine (CID 63555277) is 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine is Cc1cccc(-c2nnnn2CCCN)n1.
What is the InChIKey of 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is RKIBZEDYHLXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-4-2-5-9(12-8)10-13-14-15-16(10)7-3-6-11/h2,4-5H,3,6-7,11H2,1H3.
What are the key properties of 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine?
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 63555277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).