N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine

C13H18N6 — CID 60855788

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCN1CCC(CNc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c1-18-8-7-11(10-18)9-14-13-15-16-17-19(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,15,17)
InChIKeyQDSJAHPHOYEVHS-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.03
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine

N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 60855788) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID60855788
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCN1CCC(CNc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C13H18N6/c1-18-8-7-11(10-18)9-14-13-15-16-17-19(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,15,17)
InChIKeyQDSJAHPHOYEVHS-UHFFFAOYSA-N
XLogP1.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine (CID 60855788) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine is CN1CCC(CNc2nnnn2-c2ccccc2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is QDSJAHPHOYEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-18-8-7-11(10-18)9-14-13-15-16-17-19(13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,14,15,17).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 258.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 60855788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).