3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

C9H16N6 — CID 82363833

IUPAC3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESNCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H16N6/c10-4-2-6-15-5-1-3-8(7-15)9-11-13-14-12-9/h3H,1-2,4-7,10H2,(H,11,12,13,14)
InChIKeySMFRJBFPVWCVKU-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.36
Rot. Bonds4

About 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine

3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (PubChem CID 82363833) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
PubChem CID82363833
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
SMILESNCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H16N6/c10-4-2-6-15-5-1-3-8(7-15)9-11-13-14-12-9/h3H,1-2,4-7,10H2,(H,11,12,13,14)
InChIKeySMFRJBFPVWCVKU-UHFFFAOYSA-N
XLogP-0.36
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine (CID 82363833) is 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is NCCCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
The InChIKey is SMFRJBFPVWCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c10-4-2-6-15-5-1-3-8(7-15)9-11-13-14-12-9/h3H,1-2,4-7,10H2,(H,11,12,13,14).
What are the key properties of 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine?
3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine has a molecular weight of 208.27 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 82363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).