N-propan-2-yl-1H-imidazol-5-amine

C6H11N3 — CID 57320471

IUPACN-propan-2-yl-1H-imidazol-5-amine
SMILESCC(C)Nc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(2)9-6-3-7-4-8-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyYNCFDAARANAOBT-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.23
Rot. Bonds2

About N-propan-2-yl-1H-imidazol-5-amine

N-propan-2-yl-1H-imidazol-5-amine (PubChem CID 57320471) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-propan-2-yl-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-1H-imidazol-5-amine
PubChem CID57320471
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-propan-2-yl-1H-imidazol-5-amine
SMILESCC(C)Nc1cnc[nH]1
InChIInChI=1S/C6H11N3/c1-5(2)9-6-3-7-4-8-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyYNCFDAARANAOBT-UHFFFAOYSA-N
XLogP1.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1H-imidazol-5-amine?
The IUPAC name of N-propan-2-yl-1H-imidazol-5-amine (CID 57320471) is N-propan-2-yl-1H-imidazol-5-amine.
What is the SMILES notation for N-propan-2-yl-1H-imidazol-5-amine?
The canonical SMILES for N-propan-2-yl-1H-imidazol-5-amine is CC(C)Nc1cnc[nH]1.
What is the InChIKey of N-propan-2-yl-1H-imidazol-5-amine?
The InChIKey is YNCFDAARANAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6-3-7-4-8-6/h3-5,9H,1-2H3,(H,7,8).
What are the key properties of N-propan-2-yl-1H-imidazol-5-amine?
N-propan-2-yl-1H-imidazol-5-amine has a molecular weight of 125.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1H-imidazol-5-amine is sourced from PubChem (CID 57320471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).