1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine

C7H12N8 — CID 12011885

IUPAC1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
SMILESNc1cnn(Cn2ncc(N)c2N)c1N
InChIInChI=1S/C7H12N8/c8-4-1-12-14(6(4)10)3-15-7(11)5(9)2-13-15/h1-2H,3,8-11H2
InChIKeyMYTDTDRBGFCKPV-UHFFFAOYSA-N
MW208.23 g/mol
LogP-1.09
Rot. Bonds2

About 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine

1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine (PubChem CID 12011885) has the molecular formula C7H12N8 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
PubChem CID12011885
Molecular FormulaC7H12N8
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
SMILESNc1cnn(Cn2ncc(N)c2N)c1N
InChIInChI=1S/C7H12N8/c8-4-1-12-14(6(4)10)3-15-7(11)5(9)2-13-15/h1-2H,3,8-11H2
InChIKeyMYTDTDRBGFCKPV-UHFFFAOYSA-N
XLogP-1.09
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-Methyl-1H-pyrazole-4,5-diamine dihydrochloride
CID 13525020
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
N-[1-(2-fluoroethyl)-5-(methylideneamino)pyrazol-4-yl]methanimine
CID 169694737
1,1'-Methylenebis(1H-pyrazol-3-amine)
CID 13080913
2-[(5-Aminopyrazol-1-yl)methyl]pyrazol-3-amine
CID 13080914
1-[(5-Aminopyrazol-1-yl)methyl]pyrazol-3-amine
CID 13080915
1,1'-Methylenebis(1H-pyrazol-4-amine)
CID 17024652

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine (CID 12011885) is 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine is Nc1cnn(Cn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is MYTDTDRBGFCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N8/c8-4-1-12-14(6(4)10)3-15-7(11)5(9)2-13-15/h1-2H,3,8-11H2.
What are the key properties of 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine?
1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 208.23 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12011885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).