N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine

C6H9N5 — CID 2123122

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine
SMILESc1n[nH]c(NC2=NCCC2)n1
InChIInChI=1S/C6H9N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4H,1-3H2,(H2,7,8,9,10,11)
InChIKeySWDNHJMSOJQZAK-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.41
Rot. Bonds1

About N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine

N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 2123122) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine
PubChem CID2123122
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine
SMILESc1n[nH]c(NC2=NCCC2)n1
InChIInChI=1S/C6H9N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4H,1-3H2,(H2,7,8,9,10,11)
InChIKeySWDNHJMSOJQZAK-UHFFFAOYSA-N
XLogP0.41
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-5-amine
CID 145994375
2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 53739760
(E)-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidin-2-imine
CID 6072578
N-propyl-1H-1,2,4-triazol-5-amine;hydrochloride
CID 17934834
N-propyl-1H-1,2,4-triazol-5-amine
CID 17934835
3-(3-Aminopropylamino)-1,2,4-triazole
CID 20557813
4-(1H-1,2,4-triazol-1-yl)butanimidamide
CID 24700917
N-ethyl-1H-1,2,4-triazol-5-amine
CID 55284153
(3-Methyl-butyl)-(2H-[1,2,4]triazol-3-yl)-amine
CID 57910169
N-methyl-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 61361630
N-pentyl-1H-1,2,4-triazol-5-amine
CID 68541108
3-propan-2-yl-N-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-amine
CID 69781394

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine (CID 2123122) is N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine is c1n[nH]c(NC2=NCCC2)n1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is SWDNHJMSOJQZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4H,1-3H2,(H2,7,8,9,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 151.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 2123122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).