N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine

C9H13N5 — CID 79101247

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
SMILESCCn1ncnc1CNn1cccc1
InChIInChI=1S/C9H13N5/c1-2-14-9(10-8-12-14)7-11-13-5-3-4-6-13/h3-6,8,11H,2,7H2,1H3
InChIKeyJUVNIFADEBHRQL-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.84
Rot. Bonds4

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine (PubChem CID 79101247) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
PubChem CID79101247
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
SMILESCCn1ncnc1CNn1cccc1
InChIInChI=1S/C9H13N5/c1-2-14-9(10-8-12-14)7-11-13-5-3-4-6-13/h3-6,8,11H,2,7H2,1H3
InChIKeyJUVNIFADEBHRQL-UHFFFAOYSA-N
XLogP0.84
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387532
1-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759552
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 83228490
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095941
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417419
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054436
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine (CID 79101247) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine is CCn1ncnc1CNn1cccc1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine?
The InChIKey is JUVNIFADEBHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-14-9(10-8-12-14)7-11-13-5-3-4-6-13/h3-6,8,11H,2,7H2,1H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine has a molecular weight of 191.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79101247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).