N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine

C8H13N5 — CID 112709455

IUPACN-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
SMILESc1ncc(NCC2CCNC2)nn1
InChIInChI=1S/C8H13N5/c1-2-9-3-7(1)4-11-8-5-10-6-12-13-8/h5-7,9H,1-4H2,(H,11,13)
InChIKeyULUIUIKIQFKDEE-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.11
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine

N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine (PubChem CID 112709455) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
PubChem CID112709455
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
SMILESc1ncc(NCC2CCNC2)nn1
InChIInChI=1S/C8H13N5/c1-2-9-3-7(1)4-11-8-5-10-6-12-13-8/h5-7,9H,1-4H2,(H,11,13)
InChIKeyULUIUIKIQFKDEE-UHFFFAOYSA-N
XLogP-0.11
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
CID 22560251
5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 83834199
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 69426435
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 78990195

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine (CID 112709455) is N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine is c1ncc(NCC2CCNC2)nn1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine?
The InChIKey is ULUIUIKIQFKDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-9-3-7(1)4-11-8-5-10-6-12-13-8/h5-7,9H,1-4H2,(H,11,13).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine?
N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine has a molecular weight of 179.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine is sourced from PubChem (CID 112709455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).