1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine

C10H14N4 — CID 150232055

IUPAC1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCn1cc(C2(N)C=CC=CC2N)cn1
InChIInChI=1S/C10H14N4/c1-14-7-8(6-13-14)10(12)5-3-2-4-9(10)11/h2-7,9H,11-12H2,1H3
InChIKeyFVRTWSPCANVLDU-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.03
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine

1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 150232055) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID150232055
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCn1cc(C2(N)C=CC=CC2N)cn1
InChIInChI=1S/C10H14N4/c1-14-7-8(6-13-14)10(12)5-3-2-4-9(10)11/h2-7,9H,11-12H2,1H3
InChIKeyFVRTWSPCANVLDU-UHFFFAOYSA-N
XLogP0.03
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine (CID 150232055) is 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine is Cn1cc(C2(N)C=CC=CC2N)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FVRTWSPCANVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-14-7-8(6-13-14)10(12)5-3-2-4-9(10)11/h2-7,9H,11-12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine?
1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 150232055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).