pyridin-3-yl(tetrazolidin-5-yl)methanamine

C7H12N6 — CID 76892923

IUPACpyridin-3-yl(tetrazolidin-5-yl)methanamine
SMILESNC(c1cccnc1)C1NNNN1
InChIInChI=1S/C7H12N6/c8-6(7-10-12-13-11-7)5-2-1-3-9-4-5/h1-4,6-7,10-13H,8H2
InChIKeyAIKCSIKLHUATLQ-UHFFFAOYSA-N
MW180.22 g/mol
LogP-1.48
Rot. Bonds2

About pyridin-3-yl(tetrazolidin-5-yl)methanamine

pyridin-3-yl(tetrazolidin-5-yl)methanamine (PubChem CID 76892923) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is pyridin-3-yl(tetrazolidin-5-yl)methanamine.

Molecular Properties

Compound Namepyridin-3-yl(tetrazolidin-5-yl)methanamine
PubChem CID76892923
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC Namepyridin-3-yl(tetrazolidin-5-yl)methanamine
SMILESNC(c1cccnc1)C1NNNN1
InChIInChI=1S/C7H12N6/c8-6(7-10-12-13-11-7)5-2-1-3-9-4-5/h1-4,6-7,10-13H,8H2
InChIKeyAIKCSIKLHUATLQ-UHFFFAOYSA-N
XLogP-1.48
TPSA87.03 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
amino(pyridin-3-yl)methanethiol
CID 116939546
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115799743
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(tetrazolidin-5-yl)methanamine?
The IUPAC name of pyridin-3-yl(tetrazolidin-5-yl)methanamine (CID 76892923) is pyridin-3-yl(tetrazolidin-5-yl)methanamine.
What is the SMILES notation for pyridin-3-yl(tetrazolidin-5-yl)methanamine?
The canonical SMILES for pyridin-3-yl(tetrazolidin-5-yl)methanamine is NC(c1cccnc1)C1NNNN1.
What is the InChIKey of pyridin-3-yl(tetrazolidin-5-yl)methanamine?
The InChIKey is AIKCSIKLHUATLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6/c8-6(7-10-12-13-11-7)5-2-1-3-9-4-5/h1-4,6-7,10-13H,8H2.
What are the key properties of pyridin-3-yl(tetrazolidin-5-yl)methanamine?
pyridin-3-yl(tetrazolidin-5-yl)methanamine has a molecular weight of 180.22 g/mol, XLogP of -1.48, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(tetrazolidin-5-yl)methanamine is sourced from PubChem (CID 76892923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).