N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine

C9H16N4 — CID 60730490

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nnc2n1CCC2
InChIInChI=1S/C9H16N4/c1-7(2)10-6-9-12-11-8-4-3-5-13(8)9/h7,10H,3-6H2,1-2H3
InChIKeyFSJGRCMFBHTGTC-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.72
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine (PubChem CID 60730490) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine
PubChem CID60730490
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nnc2n1CCC2
InChIInChI=1S/C9H16N4/c1-7(2)10-6-9-12-11-8-4-3-5-13(8)9/h7,10H,3-6H2,1-2H3
InChIKeyFSJGRCMFBHTGTC-UHFFFAOYSA-N
XLogP0.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Aminomethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 16227468
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
4-acetamido-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]butanamide
CID 53514334
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]butanamide
CID 60763780
1-(cyclopropylmethyl)-3-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]urea
CID 72020819
methyl({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl})amine
CID 16227402
1-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine
CID 16227920
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
3-(Aminomethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole trihydrochloride
CID 44119672
3,5-dimethyl-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,4-triazole
CID 52191572
1-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 54592592
2-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine dihydrochloride
CID 86775255

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine (CID 60730490) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine is CC(C)NCc1nnc2n1CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine?
The InChIKey is FSJGRCMFBHTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)10-6-9-12-11-8-4-3-5-13(8)9/h7,10H,3-6H2,1-2H3.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 60730490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).