(4,5-diamino-1-methylpyrrol-3-yl)methanol

C6H11N3O — CID 174912356

IUPAC(4,5-diamino-1-methylpyrrol-3-yl)methanol
SMILESCn1cc(CO)c(N)c1N
InChIInChI=1S/C6H11N3O/c1-9-2-4(3-10)5(7)6(9)8/h2,10H,3,7-8H2,1H3
InChIKeyUBROIKUSPXNIOB-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.32
Rot. Bonds1

About (4,5-diamino-1-methylpyrrol-3-yl)methanol

(4,5-diamino-1-methylpyrrol-3-yl)methanol (PubChem CID 174912356) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (4,5-diamino-1-methylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-diamino-1-methylpyrrol-3-yl)methanol
PubChem CID174912356
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(4,5-diamino-1-methylpyrrol-3-yl)methanol
SMILESCn1cc(CO)c(N)c1N
InChIInChI=1S/C6H11N3O/c1-9-2-4(3-10)5(7)6(9)8/h2,10H,3,7-8H2,1H3
InChIKeyUBROIKUSPXNIOB-UHFFFAOYSA-N
XLogP-0.32
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-1-[2-[amino(carbamoyl)amino]-4-(hydroxymethyl)-1-methylpyrrol-3-yl]urea
CID 174805204

Frequently Asked Questions

What is the IUPAC name of (4,5-diamino-1-methylpyrrol-3-yl)methanol?
The IUPAC name of (4,5-diamino-1-methylpyrrol-3-yl)methanol (CID 174912356) is (4,5-diamino-1-methylpyrrol-3-yl)methanol.
What is the SMILES notation for (4,5-diamino-1-methylpyrrol-3-yl)methanol?
The canonical SMILES for (4,5-diamino-1-methylpyrrol-3-yl)methanol is Cn1cc(CO)c(N)c1N.
What is the InChIKey of (4,5-diamino-1-methylpyrrol-3-yl)methanol?
The InChIKey is UBROIKUSPXNIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-2-4(3-10)5(7)6(9)8/h2,10H,3,7-8H2,1H3.
What are the key properties of (4,5-diamino-1-methylpyrrol-3-yl)methanol?
(4,5-diamino-1-methylpyrrol-3-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diamino-1-methylpyrrol-3-yl)methanol is sourced from PubChem (CID 174912356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).