N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine

C10H15N7 — CID 91829088

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine
SMILESCN(CCCn1cnnn1)Cc1cnccn1
InChIInChI=1S/C10H15N7/c1-16(8-10-7-11-3-4-12-10)5-2-6-17-9-13-14-15-17/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyWJEQUCVYGDTVCG-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.01
Rot. Bonds6

About N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine

N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine (PubChem CID 91829088) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine
PubChem CID91829088
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine
SMILESCN(CCCn1cnnn1)Cc1cnccn1
InChIInChI=1S/C10H15N7/c1-16(8-10-7-11-3-4-12-10)5-2-6-17-9-13-14-15-17/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyWJEQUCVYGDTVCG-UHFFFAOYSA-N
XLogP-0.01
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine (CID 91829088) is N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine is CN(CCCn1cnnn1)Cc1cnccn1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine?
The InChIKey is WJEQUCVYGDTVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-16(8-10-7-11-3-4-12-10)5-2-6-17-9-13-14-15-17/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine?
N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine has a molecular weight of 233.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-3-(tetrazol-1-yl)propan-1-amine is sourced from PubChem (CID 91829088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).