2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine

C8H13N7 — CID 107052795

IUPAC2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
SMILESCn1nnc(Cn2ccnc2CCN)n1
InChIInChI=1S/C8H13N7/c1-14-12-7(11-13-14)6-15-5-4-10-8(15)2-3-9/h4-5H,2-3,6,9H2,1H3
InChIKeyCNFQQPVFIQVERP-UHFFFAOYSA-N
MW207.24 g/mol
LogP-1.04
Rot. Bonds4

About 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine

2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine (PubChem CID 107052795) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
PubChem CID107052795
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine
SMILESCn1nnc(Cn2ccnc2CCN)n1
InChIInChI=1S/C8H13N7/c1-14-12-7(11-13-14)6-15-5-4-10-8(15)2-3-9/h4-5H,2-3,6,9H2,1H3
InChIKeyCNFQQPVFIQVERP-UHFFFAOYSA-N
XLogP-1.04
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine (CID 107052795) is 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine is Cn1nnc(Cn2ccnc2CCN)n1.
What is the InChIKey of 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine?
The InChIKey is CNFQQPVFIQVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-14-12-7(11-13-14)6-15-5-4-10-8(15)2-3-9/h4-5H,2-3,6,9H2,1H3.
What are the key properties of 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine?
2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]ethanamine is sourced from PubChem (CID 107052795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).