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

C5H12N6O — CID 150084667

IUPACdiamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol
SMILESCn1nc(C(N)(N)O)c(N)c1N
InChIInChI=1S/C5H12N6O/c1-11-4(7)2(6)3(10-11)5(8,9)12/h12H,6-9H2,1H3
InChIKeyDRZAFRQGFHBCGW-UHFFFAOYSA-N
MW172.19 g/mol
LogP-2.40
Rot. Bonds1

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

diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol (PubChem CID 150084667) has the molecular formula C5H12N6O and a molecular weight of 172.19 g/mol. Its IUPAC name is diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Namediamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol
PubChem CID150084667
Molecular FormulaC5H12N6O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Namediamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol
SMILESCn1nc(C(N)(N)O)c(N)c1N
InChIInChI=1S/C5H12N6O/c1-11-4(7)2(6)3(10-11)5(8,9)12/h12H,6-9H2,1H3
InChIKeyDRZAFRQGFHBCGW-UHFFFAOYSA-N
XLogP-2.40
TPSA142.13 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4,5-diamino-1-isopropyl-1H-pyrazol-3-yl)methanol
CID 9815341
4,5-diamino-1-methyl-1H-pyrazole-3-methanol
CID 10130017
4,5-diamino-1-ethyl-1H-pyrazole-3-methanol
CID 10154169
[4-Amino-1-methyl-5-(methylamino)pyrazol-3-yl]methanol
CID 11819275
(3,4-Diamino-1-isopropyl-1H-pyrazol-5-yl)methanol
CID 23298683
(4,5-Diamino-2-propylpyrazol-3-yl)methanol
CID 23298688
(4,5-Diamino-2-methylpyrazol-3-yl)methanol
CID 23298689
(3,4-Diamino-1-ethyl-1H-pyrazol-5-yl)methanol
CID 23298701
(4,5-Diamino-1-tert-butylpyrazol-3-yl)methanol
CID 23496367
1-(4,5-Diamino-1-methylpyrazol-3-yl)ethanol
CID 70127840
3-(Hydroperoxymethyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 151265723
(4,5-Diamino-1-propylpyrazol-3-yl)methanol
CID 153817592

Frequently Asked Questions

What is the IUPAC name of diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol?
The IUPAC name of diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol (CID 150084667) is diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol?
The canonical SMILES for diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol is Cn1nc(C(N)(N)O)c(N)c1N.
What is the InChIKey of diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol?
The InChIKey is DRZAFRQGFHBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O/c1-11-4(7)2(6)3(10-11)5(8,9)12/h12H,6-9H2,1H3.
What are the key properties of diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol?
diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol has a molecular weight of 172.19 g/mol, XLogP of -2.40, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-(4,5-diamino-1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 150084667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).