N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine

C17H20N6 — CID 75435403

IUPACN-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(c1ccncc1)N(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H20N6/c1-3-16(14-9-11-18-12-10-14)22(2)13-17-19-20-21-23(17)15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3
InChIKeyVHQUHROCGIZYMT-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.64
Rot. Bonds6

About N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine

N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 75435403) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID75435403
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(c1ccncc1)N(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H20N6/c1-3-16(14-9-11-18-12-10-14)22(2)13-17-19-20-21-23(17)15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3
InChIKeyVHQUHROCGIZYMT-UHFFFAOYSA-N
XLogP2.64
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine (CID 75435403) is N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine is CCC(c1ccncc1)N(C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is VHQUHROCGIZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-3-16(14-9-11-18-12-10-14)22(2)13-17-19-20-21-23(17)15-7-5-4-6-8-15/h4-12,16H,3,13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 75435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).