N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine

C14H18N8 — CID 136551909

IUPACN-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine
SMILESCC(C)(C)n1nnc(CNc2cnccc2-n2cccn2)n1
InChIInChI=1S/C14H18N8/c1-14(2,3)22-19-13(18-20-22)10-16-11-9-15-7-5-12(11)21-8-4-6-17-21/h4-9,16H,10H2,1-3H3
InChIKeyZJJONNSRQDKQSE-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.62
Rot. Bonds4

About N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine

N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine (PubChem CID 136551909) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine
PubChem CID136551909
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC NameN-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine
SMILESCC(C)(C)n1nnc(CNc2cnccc2-n2cccn2)n1
InChIInChI=1S/C14H18N8/c1-14(2,3)22-19-13(18-20-22)10-16-11-9-15-7-5-12(11)21-8-4-6-17-21/h4-9,16H,10H2,1-3H3
InChIKeyZJJONNSRQDKQSE-UHFFFAOYSA-N
XLogP1.62
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine (CID 136551909) is N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine is CC(C)(C)n1nnc(CNc2cnccc2-n2cccn2)n1.
What is the InChIKey of N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine?
The InChIKey is ZJJONNSRQDKQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-14(2,3)22-19-13(18-20-22)10-16-11-9-15-7-5-12(11)21-8-4-6-17-21/h4-9,16H,10H2,1-3H3.
What are the key properties of N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine?
N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyltetrazol-5-yl)methyl]-4-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 136551909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).