N-prop-1-en-2-yl-1H-imidazol-2-amine

C6H9N3 — CID 142057882

IUPACN-prop-1-en-2-yl-1H-imidazol-2-amine
SMILESC=C(C)Nc1ncc[nH]1
InChIInChI=1S/C6H9N3/c1-5(2)9-6-7-3-4-8-6/h3-4H,1H2,2H3,(H2,7,8,9)
InChIKeyPFNPGHOQJSEKKQ-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.36
Rot. Bonds2

About N-prop-1-en-2-yl-1H-imidazol-2-amine

N-prop-1-en-2-yl-1H-imidazol-2-amine (PubChem CID 142057882) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-prop-1-en-2-yl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-prop-1-en-2-yl-1H-imidazol-2-amine
PubChem CID142057882
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-prop-1-en-2-yl-1H-imidazol-2-amine
SMILESC=C(C)Nc1ncc[nH]1
InChIInChI=1S/C6H9N3/c1-5(2)9-6-7-3-4-8-6/h3-4H,1H2,2H3,(H2,7,8,9)
InChIKeyPFNPGHOQJSEKKQ-UHFFFAOYSA-N
XLogP1.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-yl-1H-imidazol-2-amine?
The IUPAC name of N-prop-1-en-2-yl-1H-imidazol-2-amine (CID 142057882) is N-prop-1-en-2-yl-1H-imidazol-2-amine.
What is the SMILES notation for N-prop-1-en-2-yl-1H-imidazol-2-amine?
The canonical SMILES for N-prop-1-en-2-yl-1H-imidazol-2-amine is C=C(C)Nc1ncc[nH]1.
What is the InChIKey of N-prop-1-en-2-yl-1H-imidazol-2-amine?
The InChIKey is PFNPGHOQJSEKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(2)9-6-7-3-4-8-6/h3-4H,1H2,2H3,(H2,7,8,9).
What are the key properties of N-prop-1-en-2-yl-1H-imidazol-2-amine?
N-prop-1-en-2-yl-1H-imidazol-2-amine has a molecular weight of 123.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-yl-1H-imidazol-2-amine is sourced from PubChem (CID 142057882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).