hydrazinyl(1H-pyrrol-3-yl)methanamine

C5H10N4 — CID 116947455

IUPAChydrazinyl(1H-pyrrol-3-yl)methanamine
SMILESNNC(N)c1cc[nH]c1
InChIInChI=1S/C5H10N4/c6-5(9-7)4-1-2-8-3-4/h1-3,5,8-9H,6-7H2
InChIKeyHXJKAPJLTJRQJF-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.56
Rot. Bonds2

About hydrazinyl(1H-pyrrol-3-yl)methanamine

hydrazinyl(1H-pyrrol-3-yl)methanamine (PubChem CID 116947455) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is hydrazinyl(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Namehydrazinyl(1H-pyrrol-3-yl)methanamine
PubChem CID116947455
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Namehydrazinyl(1H-pyrrol-3-yl)methanamine
SMILESNNC(N)c1cc[nH]c1
InChIInChI=1S/C5H10N4/c6-5(9-7)4-1-2-8-3-4/h1-3,5,8-9H,6-7H2
InChIKeyHXJKAPJLTJRQJF-UHFFFAOYSA-N
XLogP-0.56
TPSA79.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
methoxy(1H-pyrrol-3-yl)methanamine
CID 116947286
2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116830292
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
CID 116948256
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
methyl 2-[amino(1H-pyrrol-3-yl)methyl]-3-methylbutanoate
CID 116946090
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
(4-propan-2-ylphenyl)-(1H-pyrrol-3-yl)methanol
CID 63748931

Frequently Asked Questions

What is the IUPAC name of hydrazinyl(1H-pyrrol-3-yl)methanamine?
The IUPAC name of hydrazinyl(1H-pyrrol-3-yl)methanamine (CID 116947455) is hydrazinyl(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for hydrazinyl(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for hydrazinyl(1H-pyrrol-3-yl)methanamine is NNC(N)c1cc[nH]c1.
What is the InChIKey of hydrazinyl(1H-pyrrol-3-yl)methanamine?
The InChIKey is HXJKAPJLTJRQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-5(9-7)4-1-2-8-3-4/h1-3,5,8-9H,6-7H2.
What are the key properties of hydrazinyl(1H-pyrrol-3-yl)methanamine?
hydrazinyl(1H-pyrrol-3-yl)methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.56, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116947455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).