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

C10H20N4 — CID 43703221

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1nncn1C
InChIInChI=1S/C10H20N4/c1-5-9(6-2)12-8(3)10-13-11-7-14(10)4/h7-9,12H,5-6H2,1-4H3
InChIKeyUAUGLAAPQAKQHF-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.65
Rot. Bonds5

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (PubChem CID 43703221) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
PubChem CID43703221
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1nncn1C
InChIInChI=1S/C10H20N4/c1-5-9(6-2)12-8(3)10-13-11-7-14(10)4/h7-9,12H,5-6H2,1-4H3
InChIKeyUAUGLAAPQAKQHF-UHFFFAOYSA-N
XLogP1.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
8-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 66846312
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylbutan-2-yl)urea
CID 47218838
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (CID 43703221) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is CCC(CC)NC(C)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The InChIKey is UAUGLAAPQAKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-9(6-2)12-8(3)10-13-11-7-14(10)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine has a molecular weight of 196.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 43703221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).