[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol

C9H16N4O — CID 82235529

IUPAC[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)c(N)[nH]1
InChIInChI=1S/C9H16N4O/c1-6-11-8(10)9(12-6)13-4-2-3-7(13)5-14/h7,14H,2-5,10H2,1H3,(H,11,12)
InChIKeyJEQHFRUAKBZGHP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds2

About [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol

[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 82235529) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol
PubChem CID82235529
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1nc(N2CCCC2CO)c(N)[nH]1
InChIInChI=1S/C9H16N4O/c1-6-11-8(10)9(12-6)13-4-2-3-7(13)5-14/h7,14H,2-5,10H2,1H3,(H,11,12)
InChIKeyJEQHFRUAKBZGHP-UHFFFAOYSA-N
XLogP0.26
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol (CID 82235529) is [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol is Cc1nc(N2CCCC2CO)c(N)[nH]1.
What is the InChIKey of [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is JEQHFRUAKBZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-11-8(10)9(12-6)13-4-2-3-7(13)5-14/h7,14H,2-5,10H2,1H3,(H,11,12).
What are the key properties of [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol?
[1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2-methyl-1H-imidazol-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 82235529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).