1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine

C5H8N4 — CID 16784575

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CNC2
InChIInChI=1S/C5H8N4/c6-5-3-1-7-2-4(3)8-9-5/h7H,1-2H2,(H3,6,8,9)
InChIKeyKVRUYJRLTMIRKL-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.40
Rot. Bonds

About 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine

1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 16784575) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine
PubChem CID16784575
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CNC2
InChIInChI=1S/C5H8N4/c6-5-3-1-7-2-4(3)8-9-5/h7H,1-2H2,(H3,6,8,9)
InChIKeyKVRUYJRLTMIRKL-UHFFFAOYSA-N
XLogP-0.40
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82651144
6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride
CID 137951383
6,6-Dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 59145516
4',5'-Dihydro-1'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-C]pyrazol]-3'-amine
CID 162342948
5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83916459
1-(3-Aminopyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)ethanone
CID 45086370
N-methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine
CID 57555971
3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 67388880
5-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82418443
6-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine
CID 83845388
1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
CID 84665518
3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carbaldehyde
CID 89465778

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine (CID 16784575) is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine is Nc1n[nH]c2c1CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is KVRUYJRLTMIRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5-3-1-7-2-4(3)8-9-5/h7H,1-2H2,(H3,6,8,9).
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine?
1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 16784575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).