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

C14H26N4 — CID 43748111

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H26N4/c1-10(2)7-8-11(3)15-12(4)14-17-16-13-6-5-9-18(13)14/h10-12,15H,5-9H2,1-4H3
InChIKeyMPGGHBYCJYFCAQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.70
Rot. Bonds6

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine (PubChem CID 43748111) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine
PubChem CID43748111
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H26N4/c1-10(2)7-8-11(3)15-12(4)14-17-16-13-6-5-9-18(13)14/h10-12,15H,5-9H2,1-4H3
InChIKeyMPGGHBYCJYFCAQ-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142797
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
1-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-3-[(1-ethylcyclobutyl)methyl]urea
CID 71923067
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
3-(piperidin-3-yl)-6,7-dihydro-5H-pyrrolo(2,1-c)(1,2,4)triazole hydrochloride
CID 50988054
4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}cyclohexan-1-amine
CID 60810840
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]pyrrolidine-1-carboxamide
CID 60274086
trans-3-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91794902
3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}piperidine
CID 43142787

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine (CID 43748111) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine?
The InChIKey is MPGGHBYCJYFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)7-8-11(3)15-12(4)14-17-16-13-6-5-9-18(13)14/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 43748111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).