1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine

C14H22N6 — CID 107065461

IUPAC1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)Cc1nnn(C)n1
InChIInChI=1S/C14H22N6/c1-3-8-16-13(11-14-17-19-20(2)18-14)5-4-12-6-9-15-10-7-12/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3
InChIKeyZBLHDYMVVRTCJM-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.15
Rot. Bonds8

About 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine

1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 107065461) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
PubChem CID107065461
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)Cc1nnn(C)n1
InChIInChI=1S/C14H22N6/c1-3-8-16-13(11-14-17-19-20(2)18-14)5-4-12-6-9-15-10-7-12/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3
InChIKeyZBLHDYMVVRTCJM-UHFFFAOYSA-N
XLogP1.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine (CID 107065461) is 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine is CCCNC(CCc1ccncc1)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is ZBLHDYMVVRTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-8-16-13(11-14-17-19-20(2)18-14)5-4-12-6-9-15-10-7-12/h6-7,9-10,13,16H,3-5,8,11H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine?
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 107065461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).