5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine

C9H16N4 — CID 131145902

IUPAC5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine
SMILESCc1[nH]c(N)cc1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-7-8(6-9(10)12-7)13-4-2-11-3-5-13/h6,11-12H,2-5,10H2,1H3
InChIKeyGTDAIHJOKFBTSO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.31
Rot. Bonds1

About 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine

5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine (PubChem CID 131145902) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine
PubChem CID131145902
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine
SMILESCc1[nH]c(N)cc1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-7-8(6-9(10)12-7)13-4-2-11-3-5-13/h6,11-12H,2-5,10H2,1H3
InChIKeyGTDAIHJOKFBTSO-UHFFFAOYSA-N
XLogP0.31
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-piperazin-1-yl-1H-pyrrol-2-amine
CID 98770152
2,4-dimethyl-5-piperazin-1-ylaniline
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5-methyl-2-piperazin-1-ylaniline
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5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
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1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
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4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692
6-piperazin-1-yl-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62137118
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine?
The IUPAC name of 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine (CID 131145902) is 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine is Cc1[nH]c(N)cc1N1CCNCC1.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine?
The InChIKey is GTDAIHJOKFBTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-8(6-9(10)12-7)13-4-2-11-3-5-13/h6,11-12H,2-5,10H2,1H3.
What are the key properties of 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine?
5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine is sourced from PubChem (CID 131145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).