N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C7H15N5 — CID 86039125

IUPACN'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCn1ncc(CNCCN)c1N
InChIInChI=1S/C7H15N5/c1-12-7(9)6(5-11-12)4-10-3-2-8/h5,10H,2-4,8-9H2,1H3
InChIKeyHLTPYHJDJIOZGF-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.95
Rot. Bonds4

About N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 86039125) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID86039125
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCn1ncc(CNCCN)c1N
InChIInChI=1S/C7H15N5/c1-12-7(9)6(5-11-12)4-10-3-2-8/h5,10H,2-4,8-9H2,1H3
InChIKeyHLTPYHJDJIOZGF-UHFFFAOYSA-N
XLogP-0.95
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 86039125) is N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is Cn1ncc(CNCCN)c1N.
What is the InChIKey of N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is HLTPYHJDJIOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-12-7(9)6(5-11-12)4-10-3-2-8/h5,10H,2-4,8-9H2,1H3.
What are the key properties of N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-amino-1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 86039125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).